USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 694 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 23 ASNHD21 : A 23 ASN OD1 : A 196 CACA :(metal ligand) USER MOD NoAdj : A 23 ASNHD22 : A 23 ASN OD1 : A 196 CACA :(metal ligand) USER MOD Set 1.1: A 49 GLN :FLIP amide:sc= -3.65! C(o=-14!,f=-5.8!) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -178:sc= -2.15! (180deg=0) USER MOD Set 2.1: A 27 SER OG : rot -150:sc= 0.611 USER MOD Set 2.2: A 29 SER OG : rot -39:sc= 0.43 USER MOD Single : A 1 GLY N :NH3+ 166:sc= -0.129 (180deg=-0.323) USER MOD Single : A 2 HIS : no HD1:sc= -0.274 K(o=-0.27,f=-1.3) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 76:sc= 0.61 USER MOD Single : A 12 LYS NZ :NH3+ -125:sc= -0.837 (180deg=-2.59!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -1.9 F(o=-2.7!,f=-1.9) USER MOD Single : A 35 MET CE :methyl 158:sc= -0.0527 (180deg=-1.16) USER MOD Single : A 37 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.8) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 50 MET CE :methyl 174:sc= -1.13 (180deg=-1.18) USER MOD Single : A 61 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.1) USER MOD Single : A 63 ASN :FLIP amide:sc= -1.43 F(o=-3.2!,f=-1.4) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -141:sc=-0.00498 (180deg=-0.342) USER MOD Single : A 70 MET CE :methyl -145:sc= -1.59 (180deg=-3.62!) USER MOD Single : A 71 MET CE :methyl 166:sc= -0.321 (180deg=-0.803) USER MOD Single : A 72 MET CE :methyl 149:sc= -1.6 (180deg=-2.13) USER MOD Single : A 73 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 170:sc= -0.088 USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.0135 (180deg=-0.285) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.379 -1.166 -9.388 1.00 0.00 N ATOM 2 CA GLY A 1 20.358 -2.119 -8.865 1.00 0.00 C ATOM 3 C GLY A 1 21.054 -3.266 -8.144 1.00 0.00 C ATOM 4 O GLY A 1 20.479 -4.338 -7.962 1.00 0.00 O ATOM 0 H1 GLY A 1 20.934 -0.522 -10.072 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.775 -0.615 -8.600 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.141 -1.696 -9.857 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.681 -1.605 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.752 -2.505 -9.685 1.00 0.00 H new ATOM 10 N HIS A 2 22.298 -3.035 -7.733 1.00 0.00 N ATOM 11 CA HIS A 2 23.069 -4.058 -7.028 1.00 0.00 C ATOM 12 C HIS A 2 22.995 -3.835 -5.521 1.00 0.00 C ATOM 13 O HIS A 2 23.937 -4.145 -4.793 1.00 0.00 O ATOM 14 CB HIS A 2 24.529 -4.016 -7.482 1.00 0.00 C ATOM 15 CG HIS A 2 25.158 -2.722 -7.045 1.00 0.00 C ATOM 16 ND1 HIS A 2 25.016 -1.548 -7.769 1.00 0.00 N ATOM 17 CD2 HIS A 2 25.932 -2.400 -5.958 1.00 0.00 C ATOM 18 CE1 HIS A 2 25.689 -0.585 -7.116 1.00 0.00 C ATOM 19 NE2 HIS A 2 26.268 -1.050 -6.005 1.00 0.00 N ATOM 0 H HIS A 2 22.792 -2.154 -7.874 1.00 0.00 H new ATOM 0 HA HIS A 2 22.645 -5.035 -7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 2 25.076 -4.859 -7.059 1.00 0.00 H new ATOM 0 HB3 HIS A 2 24.586 -4.111 -8.566 1.00 0.00 H new ATOM 0 HD2 HIS A 2 26.234 -3.090 -5.184 1.00 0.00 H new ATOM 0 HE1 HIS A 2 25.754 0.440 -7.449 1.00 0.00 H new ATOM 0 HE2 HIS A 2 26.834 -0.528 -5.336 1.00 0.00 H new ATOM 27 N MET A 3 21.874 -3.288 -5.062 1.00 0.00 N ATOM 28 CA MET A 3 21.696 -3.023 -3.641 1.00 0.00 C ATOM 29 C MET A 3 21.328 -4.297 -2.919 1.00 0.00 C ATOM 30 O MET A 3 20.542 -5.085 -3.440 1.00 0.00 O ATOM 31 CB MET A 3 20.584 -1.992 -3.436 1.00 0.00 C ATOM 32 CG MET A 3 21.022 -0.652 -4.027 1.00 0.00 C ATOM 33 SD MET A 3 19.685 0.554 -3.852 1.00 0.00 S ATOM 34 CE MET A 3 20.116 1.130 -2.191 1.00 0.00 C ATOM 0 H MET A 3 21.083 -3.022 -5.648 1.00 0.00 H new ATOM 0 HA MET A 3 22.632 -2.635 -3.240 1.00 0.00 H new ATOM 0 HB2 MET A 3 19.665 -2.331 -3.915 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.367 -1.880 -2.374 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.917 -0.294 -3.519 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.280 -0.774 -5.079 1.00 0.00 H new ATOM 0 HE1 MET A 3 19.406 1.895 -1.876 1.00 0.00 H new ATOM 0 HE2 MET A 3 20.080 0.292 -1.495 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.122 1.550 -2.201 1.00 0.00 H new ATOM 44 N ASP A 4 21.904 -4.496 -1.723 1.00 0.00 N ATOM 45 CA ASP A 4 21.641 -5.695 -0.914 1.00 0.00 C ATOM 46 C ASP A 4 20.352 -6.383 -1.349 1.00 0.00 C ATOM 47 O ASP A 4 20.362 -7.211 -2.257 1.00 0.00 O ATOM 48 CB ASP A 4 21.524 -5.309 0.559 1.00 0.00 C ATOM 49 CG ASP A 4 22.892 -4.912 1.104 1.00 0.00 C ATOM 50 OD1 ASP A 4 23.873 -5.167 0.427 1.00 0.00 O ATOM 51 OD2 ASP A 4 22.936 -4.360 2.192 1.00 0.00 O ATOM 0 H ASP A 4 22.557 -3.840 -1.295 1.00 0.00 H new ATOM 0 HA ASP A 4 22.472 -6.385 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 4 20.824 -4.481 0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 4 21.124 -6.145 1.132 1.00 0.00 H new ATOM 56 N THR A 5 19.237 -5.996 -0.738 1.00 0.00 N ATOM 57 CA THR A 5 17.938 -6.560 -1.103 1.00 0.00 C ATOM 58 C THR A 5 17.115 -5.551 -1.904 1.00 0.00 C ATOM 59 O THR A 5 16.987 -4.388 -1.523 1.00 0.00 O ATOM 60 CB THR A 5 17.182 -6.949 0.167 1.00 0.00 C ATOM 61 OG1 THR A 5 17.328 -5.918 1.135 1.00 0.00 O ATOM 62 CG2 THR A 5 17.755 -8.253 0.724 1.00 0.00 C ATOM 0 H THR A 5 19.204 -5.300 0.007 1.00 0.00 H new ATOM 0 HA THR A 5 18.099 -7.442 -1.723 1.00 0.00 H new ATOM 0 HB THR A 5 16.126 -7.087 -0.066 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.756 -5.159 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 5 17.215 -8.530 1.630 1.00 0.00 H new ATOM 0 HG22 THR A 5 17.648 -9.044 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.811 -8.116 0.958 1.00 0.00 H new ATOM 70 N ASP A 6 16.562 -6.010 -3.020 1.00 0.00 N ATOM 71 CA ASP A 6 15.747 -5.155 -3.873 1.00 0.00 C ATOM 72 C ASP A 6 14.419 -4.836 -3.202 1.00 0.00 C ATOM 73 O ASP A 6 13.872 -3.748 -3.382 1.00 0.00 O ATOM 74 CB ASP A 6 15.495 -5.839 -5.218 1.00 0.00 C ATOM 75 CG ASP A 6 14.842 -7.199 -4.997 1.00 0.00 C ATOM 76 OD1 ASP A 6 14.689 -7.581 -3.849 1.00 0.00 O ATOM 77 OD2 ASP A 6 14.515 -7.842 -5.980 1.00 0.00 O ATOM 0 H ASP A 6 16.663 -6.968 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 6 16.287 -4.223 -4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 6 14.852 -5.214 -5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 6 16.436 -5.961 -5.755 1.00 0.00 H new ATOM 82 N ALA A 7 13.900 -5.792 -2.432 1.00 0.00 N ATOM 83 CA ALA A 7 12.628 -5.603 -1.742 1.00 0.00 C ATOM 84 C ALA A 7 12.515 -4.178 -1.204 1.00 0.00 C ATOM 85 O ALA A 7 11.553 -3.467 -1.493 1.00 0.00 O ATOM 86 CB ALA A 7 12.513 -6.598 -0.585 1.00 0.00 C ATOM 0 H ALA A 7 14.339 -6.699 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 7 11.820 -5.774 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.562 -6.453 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.564 -7.615 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.331 -6.436 0.117 1.00 0.00 H new ATOM 92 N GLU A 8 13.508 -3.765 -0.429 1.00 0.00 N ATOM 93 CA GLU A 8 13.513 -2.421 0.137 1.00 0.00 C ATOM 94 C GLU A 8 13.337 -1.380 -0.965 1.00 0.00 C ATOM 95 O GLU A 8 12.627 -0.386 -0.786 1.00 0.00 O ATOM 96 CB GLU A 8 14.837 -2.177 0.875 1.00 0.00 C ATOM 97 CG GLU A 8 14.812 -2.887 2.233 1.00 0.00 C ATOM 98 CD GLU A 8 14.874 -4.394 2.033 1.00 0.00 C ATOM 99 OE1 GLU A 8 15.270 -4.812 0.959 1.00 0.00 O ATOM 100 OE2 GLU A 8 14.517 -5.110 2.952 1.00 0.00 O ATOM 0 H GLU A 8 14.316 -4.335 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 8 12.684 -2.331 0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.671 -2.545 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.994 -1.108 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.655 -2.557 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.905 -2.621 2.775 1.00 0.00 H new ATOM 107 N GLU A 9 13.982 -1.614 -2.103 1.00 0.00 N ATOM 108 CA GLU A 9 13.885 -0.687 -3.223 1.00 0.00 C ATOM 109 C GLU A 9 12.453 -0.647 -3.750 1.00 0.00 C ATOM 110 O GLU A 9 11.920 0.421 -4.046 1.00 0.00 O ATOM 111 CB GLU A 9 14.834 -1.121 -4.341 1.00 0.00 C ATOM 112 CG GLU A 9 14.971 0.009 -5.361 1.00 0.00 C ATOM 113 CD GLU A 9 15.772 1.160 -4.757 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.292 0.985 -3.667 1.00 0.00 O ATOM 115 OE2 GLU A 9 15.855 2.197 -5.395 1.00 0.00 O ATOM 0 H GLU A 9 14.571 -2.429 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 9 14.165 0.309 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.811 -1.372 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.454 -2.020 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.467 -0.358 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.984 0.360 -5.663 1.00 0.00 H new ATOM 122 N GLU A 10 11.836 -1.817 -3.863 1.00 0.00 N ATOM 123 CA GLU A 10 10.468 -1.898 -4.358 1.00 0.00 C ATOM 124 C GLU A 10 9.537 -1.067 -3.481 1.00 0.00 C ATOM 125 O GLU A 10 8.704 -0.313 -3.984 1.00 0.00 O ATOM 126 CB GLU A 10 9.996 -3.358 -4.352 1.00 0.00 C ATOM 127 CG GLU A 10 8.592 -3.450 -4.959 1.00 0.00 C ATOM 128 CD GLU A 10 8.096 -4.892 -4.911 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.639 -5.309 -3.855 1.00 0.00 O ATOM 130 OE2 GLU A 10 8.178 -5.558 -5.931 1.00 0.00 O ATOM 0 H GLU A 10 12.256 -2.714 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 10 10.445 -1.509 -5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.690 -3.977 -4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.988 -3.743 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.907 -2.803 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.609 -3.097 -5.990 1.00 0.00 H new ATOM 137 N LEU A 11 9.676 -1.219 -2.171 1.00 0.00 N ATOM 138 CA LEU A 11 8.824 -0.486 -1.236 1.00 0.00 C ATOM 139 C LEU A 11 9.035 1.012 -1.387 1.00 0.00 C ATOM 140 O LEU A 11 8.073 1.781 -1.403 1.00 0.00 O ATOM 141 CB LEU A 11 9.164 -0.898 0.199 1.00 0.00 C ATOM 142 CG LEU A 11 8.961 -2.409 0.361 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.388 -2.835 1.771 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.486 -2.772 0.136 1.00 0.00 C ATOM 0 H LEU A 11 10.361 -1.835 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 11 7.783 -0.723 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.196 -0.633 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.531 -0.358 0.903 1.00 0.00 H new ATOM 0 HG LEU A 11 9.570 -2.931 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.244 -3.909 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.440 -2.592 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.784 -2.307 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.354 -3.848 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.867 -2.249 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.188 -2.478 -0.870 1.00 0.00 H new ATOM 156 N LYS A 12 10.293 1.422 -1.496 1.00 0.00 N ATOM 157 CA LYS A 12 10.600 2.841 -1.645 1.00 0.00 C ATOM 158 C LYS A 12 10.102 3.383 -2.981 1.00 0.00 C ATOM 159 O LYS A 12 9.379 4.385 -3.034 1.00 0.00 O ATOM 160 CB LYS A 12 12.115 3.051 -1.548 1.00 0.00 C ATOM 161 CG LYS A 12 12.414 4.522 -1.244 1.00 0.00 C ATOM 162 CD LYS A 12 13.916 4.695 -0.989 1.00 0.00 C ATOM 163 CE LYS A 12 14.323 3.953 0.298 1.00 0.00 C ATOM 164 NZ LYS A 12 14.810 2.590 -0.057 1.00 0.00 N ATOM 0 H LYS A 12 11.105 0.805 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 12 10.092 3.381 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.530 2.416 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.593 2.758 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.101 5.148 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.846 4.847 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.483 4.309 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.158 5.754 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.103 4.507 0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.473 3.883 0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.270 1.879 0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.682 2.430 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.819 2.509 0.182 1.00 0.00 H new ATOM 178 N GLU A 13 10.487 2.714 -4.061 1.00 0.00 N ATOM 179 CA GLU A 13 10.079 3.143 -5.391 1.00 0.00 C ATOM 180 C GLU A 13 8.560 3.162 -5.507 1.00 0.00 C ATOM 181 O GLU A 13 7.967 4.187 -5.862 1.00 0.00 O ATOM 182 CB GLU A 13 10.660 2.192 -6.443 1.00 0.00 C ATOM 183 CG GLU A 13 12.185 2.317 -6.467 1.00 0.00 C ATOM 184 CD GLU A 13 12.591 3.693 -6.979 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.777 4.321 -7.635 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.711 4.099 -6.709 1.00 0.00 O ATOM 0 H GLU A 13 11.075 1.881 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 13 10.456 4.152 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.373 1.165 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.251 2.428 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.586 2.160 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.611 1.543 -7.105 1.00 0.00 H new ATOM 193 N ALA A 14 7.933 2.033 -5.191 1.00 0.00 N ATOM 194 CA ALA A 14 6.482 1.931 -5.264 1.00 0.00 C ATOM 195 C ALA A 14 5.830 3.023 -4.421 1.00 0.00 C ATOM 196 O ALA A 14 4.879 3.666 -4.837 1.00 0.00 O ATOM 197 CB ALA A 14 6.027 0.560 -4.764 1.00 0.00 C ATOM 0 H ALA A 14 8.404 1.182 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 14 6.179 2.055 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.941 0.494 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.472 -0.219 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.343 0.427 -3.730 1.00 0.00 H new ATOM 203 N PHE A 15 6.347 3.235 -3.230 1.00 0.00 N ATOM 204 CA PHE A 15 5.793 4.257 -2.350 1.00 0.00 C ATOM 205 C PHE A 15 5.879 5.631 -3.015 1.00 0.00 C ATOM 206 O PHE A 15 5.061 6.513 -2.744 1.00 0.00 O ATOM 207 CB PHE A 15 6.567 4.272 -1.020 1.00 0.00 C ATOM 208 CG PHE A 15 6.424 5.623 -0.351 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.218 5.971 0.267 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.492 6.526 -0.364 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.080 7.223 0.875 1.00 0.00 C ATOM 212 CE2 PHE A 15 7.355 7.777 0.244 1.00 0.00 C ATOM 213 CZ PHE A 15 6.150 8.125 0.864 1.00 0.00 C ATOM 0 H PHE A 15 7.141 2.723 -2.846 1.00 0.00 H new ATOM 0 HA PHE A 15 4.746 4.026 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.190 3.490 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.620 4.056 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.394 5.273 0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.422 6.257 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.150 7.493 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.179 8.475 0.235 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.045 9.091 1.335 1.00 0.00 H new ATOM 223 N LYS A 16 6.907 5.826 -3.827 1.00 0.00 N ATOM 224 CA LYS A 16 7.113 7.111 -4.482 1.00 0.00 C ATOM 225 C LYS A 16 6.064 7.363 -5.554 1.00 0.00 C ATOM 226 O LYS A 16 5.607 8.492 -5.743 1.00 0.00 O ATOM 227 CB LYS A 16 8.505 7.155 -5.117 1.00 0.00 C ATOM 228 CG LYS A 16 8.780 8.560 -5.656 1.00 0.00 C ATOM 229 CD LYS A 16 10.196 8.617 -6.233 1.00 0.00 C ATOM 230 CE LYS A 16 10.477 10.026 -6.758 1.00 0.00 C ATOM 231 NZ LYS A 16 11.867 10.089 -7.293 1.00 0.00 N ATOM 0 H LYS A 16 7.607 5.118 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 16 7.024 7.889 -3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.261 6.883 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.570 6.426 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.052 8.815 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.671 9.295 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.924 8.351 -5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.302 7.890 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.763 10.283 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.350 10.756 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.058 11.047 -7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.541 9.861 -6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.972 9.403 -8.068 1.00 0.00 H new ATOM 245 N VAL A 17 5.688 6.304 -6.256 1.00 0.00 N ATOM 246 CA VAL A 17 4.690 6.424 -7.319 1.00 0.00 C ATOM 247 C VAL A 17 3.283 6.560 -6.736 1.00 0.00 C ATOM 248 O VAL A 17 2.389 7.135 -7.361 1.00 0.00 O ATOM 249 CB VAL A 17 4.777 5.201 -8.253 1.00 0.00 C ATOM 250 CG1 VAL A 17 6.220 4.678 -8.274 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.833 4.087 -7.765 1.00 0.00 C ATOM 0 H VAL A 17 6.051 5.361 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 17 4.898 7.326 -7.895 1.00 0.00 H new ATOM 0 HB VAL A 17 4.478 5.500 -9.258 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.284 3.813 -8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.886 5.461 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.517 4.388 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.905 3.230 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.117 3.785 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.808 4.456 -7.758 1.00 0.00 H new ATOM 261 N PHE A 18 3.085 5.979 -5.557 1.00 0.00 N ATOM 262 CA PHE A 18 1.777 6.014 -4.919 1.00 0.00 C ATOM 263 C PHE A 18 1.385 7.448 -4.605 1.00 0.00 C ATOM 264 O PHE A 18 0.253 7.860 -4.858 1.00 0.00 O ATOM 265 CB PHE A 18 1.807 5.172 -3.622 1.00 0.00 C ATOM 266 CG PHE A 18 1.036 3.888 -3.817 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.355 3.885 -3.656 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.707 2.715 -4.165 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.076 2.704 -3.842 1.00 0.00 C ATOM 270 CE2 PHE A 18 0.987 1.531 -4.351 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.406 1.525 -4.188 1.00 0.00 C ATOM 0 H PHE A 18 3.805 5.484 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 18 1.037 5.593 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.838 4.948 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.376 5.742 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.870 4.796 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.780 2.722 -4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.149 2.700 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.503 0.621 -4.620 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.962 0.610 -4.330 1.00 0.00 H new ATOM 281 N ASP A 19 2.325 8.198 -4.045 1.00 0.00 N ATOM 282 CA ASP A 19 2.061 9.583 -3.687 1.00 0.00 C ATOM 283 C ASP A 19 1.944 10.450 -4.934 1.00 0.00 C ATOM 284 O ASP A 19 2.906 11.102 -5.338 1.00 0.00 O ATOM 285 CB ASP A 19 3.185 10.116 -2.794 1.00 0.00 C ATOM 286 CG ASP A 19 3.111 9.473 -1.414 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.049 9.537 -0.812 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.113 8.933 -0.977 1.00 0.00 O ATOM 0 H ASP A 19 3.268 7.874 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 19 1.116 9.622 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.152 9.905 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.105 11.199 -2.703 1.00 0.00 H new ATOM 293 N LYS A 20 0.758 10.450 -5.539 1.00 0.00 N ATOM 294 CA LYS A 20 0.533 11.235 -6.747 1.00 0.00 C ATOM 295 C LYS A 20 0.840 12.704 -6.469 1.00 0.00 C ATOM 296 O LYS A 20 1.559 13.350 -7.230 1.00 0.00 O ATOM 297 CB LYS A 20 -0.923 11.094 -7.191 1.00 0.00 C ATOM 298 CG LYS A 20 -1.119 11.796 -8.533 1.00 0.00 C ATOM 299 CD LYS A 20 -2.574 11.649 -8.983 1.00 0.00 C ATOM 300 CE LYS A 20 -2.771 12.363 -10.323 1.00 0.00 C ATOM 301 NZ LYS A 20 -2.279 11.492 -11.426 1.00 0.00 N ATOM 0 H LYS A 20 -0.052 9.921 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 20 1.189 10.871 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.187 10.040 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.586 11.527 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.860 12.851 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.452 11.366 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.830 10.594 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.242 12.072 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.825 12.596 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.232 13.310 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.412 11.976 -12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.268 11.291 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.812 10.599 -11.427 1.00 0.00 H new ATOM 315 N ASP A 21 0.299 13.225 -5.371 1.00 0.00 N ATOM 316 CA ASP A 21 0.526 14.620 -5.007 1.00 0.00 C ATOM 317 C ASP A 21 2.003 14.851 -4.714 1.00 0.00 C ATOM 318 O ASP A 21 2.489 15.979 -4.785 1.00 0.00 O ATOM 319 CB ASP A 21 -0.301 14.979 -3.769 1.00 0.00 C ATOM 320 CG ASP A 21 0.059 14.053 -2.610 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.225 13.719 -2.484 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.835 13.683 -1.869 1.00 0.00 O ATOM 0 H ASP A 21 -0.295 12.707 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 21 0.222 15.252 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.116 16.016 -3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.364 14.895 -3.995 1.00 0.00 H new ATOM 327 N GLN A 22 2.709 13.773 -4.387 1.00 0.00 N ATOM 328 CA GLN A 22 4.134 13.861 -4.087 1.00 0.00 C ATOM 329 C GLN A 22 4.366 14.655 -2.807 1.00 0.00 C ATOM 330 O GLN A 22 5.228 15.533 -2.761 1.00 0.00 O ATOM 331 CB GLN A 22 4.873 14.538 -5.250 1.00 0.00 C ATOM 332 CG GLN A 22 6.366 14.207 -5.176 1.00 0.00 C ATOM 333 CD GLN A 22 6.592 12.750 -5.568 1.00 0.00 C ATOM 334 OE1 GLN A 22 6.208 12.335 -6.661 1.00 0.00 O ATOM 335 NE2 GLN A 22 7.197 11.947 -4.738 1.00 0.00 N ATOM 0 H GLN A 22 2.320 12.832 -4.323 1.00 0.00 H new ATOM 0 HA GLN A 22 4.519 12.851 -3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.462 14.199 -6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.727 15.617 -5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.927 14.863 -5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.737 14.383 -4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.514 12.294 -3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.353 10.972 -4.994 1.00 0.00 H new ATOM 344 N ASN A 23 3.595 14.343 -1.767 1.00 0.00 N ATOM 345 CA ASN A 23 3.732 15.035 -0.484 1.00 0.00 C ATOM 346 C ASN A 23 4.468 14.152 0.511 1.00 0.00 C ATOM 347 O ASN A 23 5.254 14.639 1.320 1.00 0.00 O ATOM 348 CB ASN A 23 2.351 15.396 0.060 1.00 0.00 C ATOM 349 CG ASN A 23 1.462 14.162 0.100 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.935 13.053 -0.118 1.00 0.00 O ATOM 351 ND2 ASN A 23 0.193 14.290 0.366 1.00 0.00 N ATOM 0 H ASN A 23 2.874 13.622 -1.785 1.00 0.00 H new ATOM 0 HA ASN A 23 4.306 15.949 -0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.445 15.818 1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.894 16.162 -0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.408 13.466 0.393 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.199 15.214 0.547 1.00 0.00 H new ATOM 358 N GLY A 24 4.216 12.846 0.448 1.00 0.00 N ATOM 359 CA GLY A 24 4.851 11.893 1.357 1.00 0.00 C ATOM 360 C GLY A 24 3.819 11.016 2.055 1.00 0.00 C ATOM 361 O GLY A 24 4.114 9.879 2.417 1.00 0.00 O ATOM 0 H GLY A 24 3.576 12.423 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.547 11.265 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.435 12.433 2.102 1.00 0.00 H new ATOM 365 N TYR A 25 2.609 11.534 2.237 1.00 0.00 N ATOM 366 CA TYR A 25 1.545 10.770 2.892 1.00 0.00 C ATOM 367 C TYR A 25 0.501 10.342 1.870 1.00 0.00 C ATOM 368 O TYR A 25 -0.056 11.171 1.146 1.00 0.00 O ATOM 369 CB TYR A 25 0.877 11.630 3.967 1.00 0.00 C ATOM 370 CG TYR A 25 1.840 11.839 5.112 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.865 12.785 4.999 1.00 0.00 C ATOM 372 CD2 TYR A 25 1.706 11.090 6.284 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.758 12.980 6.060 1.00 0.00 C ATOM 374 CE2 TYR A 25 2.596 11.284 7.346 1.00 0.00 C ATOM 375 CZ TYR A 25 3.623 12.229 7.235 1.00 0.00 C ATOM 376 OH TYR A 25 4.504 12.420 8.280 1.00 0.00 O ATOM 0 H TYR A 25 2.338 12.473 1.944 1.00 0.00 H new ATOM 0 HA TYR A 25 1.982 9.884 3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.580 12.591 3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.031 11.144 4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.967 13.365 4.094 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.914 10.360 6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.550 13.709 5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.491 10.705 8.251 1.00 0.00 H new ATOM 0 HH TYR A 25 4.270 11.821 9.019 1.00 0.00 H new ATOM 386 N ILE A 26 0.245 9.037 1.813 1.00 0.00 N ATOM 387 CA ILE A 26 -0.733 8.496 0.875 1.00 0.00 C ATOM 388 C ILE A 26 -2.138 8.650 1.438 1.00 0.00 C ATOM 389 O ILE A 26 -2.337 8.591 2.658 1.00 0.00 O ATOM 390 CB ILE A 26 -0.447 7.025 0.597 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.941 6.883 -0.029 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.500 6.468 -0.364 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.330 5.405 -0.076 1.00 0.00 C ATOM 0 H ILE A 26 0.699 8.339 2.402 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.659 9.051 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.482 6.468 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.943 7.303 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.673 7.444 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.293 5.416 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.489 6.565 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.469 7.025 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.319 5.303 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.345 5.000 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.603 4.856 -0.675 1.00 0.00 H new ATOM 405 N SER A 27 -3.110 8.853 0.546 1.00 0.00 N ATOM 406 CA SER A 27 -4.508 9.020 0.955 1.00 0.00 C ATOM 407 C SER A 27 -5.399 8.005 0.255 1.00 0.00 C ATOM 408 O SER A 27 -4.915 7.050 -0.349 1.00 0.00 O ATOM 409 CB SER A 27 -4.976 10.436 0.623 1.00 0.00 C ATOM 410 OG SER A 27 -5.392 10.486 -0.735 1.00 0.00 O ATOM 0 H SER A 27 -2.957 8.906 -0.461 1.00 0.00 H new ATOM 0 HA SER A 27 -4.577 8.856 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.799 10.723 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.169 11.148 0.795 1.00 0.00 H new ATOM 0 HG SER A 27 -5.238 11.386 -1.092 1.00 0.00 H new ATOM 416 N ALA A 28 -6.706 8.216 0.348 1.00 0.00 N ATOM 417 CA ALA A 28 -7.664 7.312 -0.279 1.00 0.00 C ATOM 418 C ALA A 28 -7.787 7.601 -1.770 1.00 0.00 C ATOM 419 O ALA A 28 -7.888 6.682 -2.583 1.00 0.00 O ATOM 420 CB ALA A 28 -9.036 7.462 0.389 1.00 0.00 C ATOM 0 H ALA A 28 -7.126 9.000 0.848 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.305 6.291 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.747 6.784 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.953 7.220 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.385 8.489 0.278 1.00 0.00 H new ATOM 426 N SER A 29 -7.782 8.880 -2.122 1.00 0.00 N ATOM 427 CA SER A 29 -7.907 9.276 -3.519 1.00 0.00 C ATOM 428 C SER A 29 -6.766 8.692 -4.344 1.00 0.00 C ATOM 429 O SER A 29 -6.980 8.184 -5.447 1.00 0.00 O ATOM 430 CB SER A 29 -7.889 10.802 -3.631 1.00 0.00 C ATOM 431 OG SER A 29 -6.668 11.297 -3.097 1.00 0.00 O ATOM 0 H SER A 29 -7.694 9.656 -1.466 1.00 0.00 H new ATOM 0 HA SER A 29 -8.852 8.893 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.992 11.103 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.735 11.228 -3.091 1.00 0.00 H new ATOM 0 HG SER A 29 -6.432 10.787 -2.294 1.00 0.00 H new ATOM 437 N GLU A 30 -5.555 8.763 -3.803 1.00 0.00 N ATOM 438 CA GLU A 30 -4.391 8.236 -4.501 1.00 0.00 C ATOM 439 C GLU A 30 -4.456 6.714 -4.581 1.00 0.00 C ATOM 440 O GLU A 30 -4.161 6.121 -5.620 1.00 0.00 O ATOM 441 CB GLU A 30 -3.112 8.658 -3.771 1.00 0.00 C ATOM 442 CG GLU A 30 -2.954 10.176 -3.863 1.00 0.00 C ATOM 443 CD GLU A 30 -1.707 10.612 -3.109 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.099 9.761 -2.485 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.373 11.786 -3.177 1.00 0.00 O ATOM 0 H GLU A 30 -5.356 9.176 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.383 8.640 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.157 8.348 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.247 8.164 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.884 10.481 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.833 10.668 -3.446 1.00 0.00 H new ATOM 452 N LEU A 31 -4.835 6.086 -3.474 1.00 0.00 N ATOM 453 CA LEU A 31 -4.916 4.632 -3.430 1.00 0.00 C ATOM 454 C LEU A 31 -5.940 4.132 -4.452 1.00 0.00 C ATOM 455 O LEU A 31 -5.696 3.167 -5.183 1.00 0.00 O ATOM 456 CB LEU A 31 -5.320 4.183 -2.013 1.00 0.00 C ATOM 457 CG LEU A 31 -4.716 2.805 -1.715 1.00 0.00 C ATOM 458 CD1 LEU A 31 -5.057 2.395 -0.285 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.264 1.768 -2.707 1.00 0.00 C ATOM 0 H LEU A 31 -5.088 6.555 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.942 4.209 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.973 4.909 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.406 4.140 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.633 2.855 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.627 1.416 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.648 3.128 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.140 2.349 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.831 0.792 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.349 1.713 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.002 2.063 -3.723 1.00 0.00 H new ATOM 471 N ARG A 32 -7.084 4.800 -4.503 1.00 0.00 N ATOM 472 CA ARG A 32 -8.130 4.426 -5.441 1.00 0.00 C ATOM 473 C ARG A 32 -7.640 4.611 -6.874 1.00 0.00 C ATOM 474 O ARG A 32 -7.920 3.784 -7.743 1.00 0.00 O ATOM 475 CB ARG A 32 -9.374 5.289 -5.215 1.00 0.00 C ATOM 476 CG ARG A 32 -10.482 4.853 -6.177 1.00 0.00 C ATOM 477 CD ARG A 32 -11.669 5.804 -6.055 1.00 0.00 C ATOM 478 NE ARG A 32 -12.815 5.288 -6.797 1.00 0.00 N ATOM 479 CZ ARG A 32 -12.947 5.507 -8.102 1.00 0.00 C ATOM 480 NH1 ARG A 32 -12.043 6.196 -8.742 1.00 0.00 N ATOM 481 NH2 ARG A 32 -13.980 5.033 -8.739 1.00 0.00 N ATOM 0 H ARG A 32 -7.309 5.598 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.383 3.378 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.714 5.192 -4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.134 6.340 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.108 4.851 -7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.795 3.834 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.935 5.931 -5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.395 6.788 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.528 4.749 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.235 6.567 -8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.144 6.364 -9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.686 4.495 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.083 5.200 -9.740 1.00 0.00 H new ATOM 495 N HIS A 33 -6.920 5.702 -7.114 1.00 0.00 N ATOM 496 CA HIS A 33 -6.411 5.984 -8.451 1.00 0.00 C ATOM 497 C HIS A 33 -5.493 4.863 -8.919 1.00 0.00 C ATOM 498 O HIS A 33 -5.548 4.443 -10.075 1.00 0.00 O ATOM 499 CB HIS A 33 -5.643 7.308 -8.446 1.00 0.00 C ATOM 500 CG HIS A 33 -6.612 8.449 -8.297 1.00 0.00 C ATOM 501 ND1 HIS A 33 -6.544 9.626 -7.596 1.00 0.00 N flip ATOM 502 CD2 HIS A 33 -7.846 8.456 -8.930 1.00 0.00 C flip ATOM 503 CE1 HIS A 33 -7.715 10.353 -7.787 1.00 0.00 C flip ATOM 504 NE2 HIS A 33 -8.464 9.603 -8.598 1.00 0.00 N flip ATOM 0 H HIS A 33 -6.678 6.398 -6.409 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.256 6.056 -9.136 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.922 7.320 -7.628 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.077 7.416 -9.371 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.239 7.682 -9.572 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.964 11.317 -7.369 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.393 9.868 -8.926 1.00 0.00 H new ATOM 512 N VAL A 34 -4.655 4.379 -8.013 1.00 0.00 N ATOM 513 CA VAL A 34 -3.725 3.299 -8.344 1.00 0.00 C ATOM 514 C VAL A 34 -4.493 2.015 -8.664 1.00 0.00 C ATOM 515 O VAL A 34 -4.172 1.293 -9.625 1.00 0.00 O ATOM 516 CB VAL A 34 -2.767 3.053 -7.174 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.892 1.833 -7.474 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.874 4.284 -6.980 1.00 0.00 C ATOM 0 H VAL A 34 -4.597 4.711 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.149 3.593 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.343 2.871 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.211 1.660 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.525 0.957 -7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.316 2.013 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.192 4.111 -6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.300 4.464 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.495 5.154 -6.765 1.00 0.00 H new ATOM 528 N MET A 35 -5.517 1.736 -7.858 1.00 0.00 N ATOM 529 CA MET A 35 -6.321 0.539 -8.065 1.00 0.00 C ATOM 530 C MET A 35 -7.015 0.599 -9.421 1.00 0.00 C ATOM 531 O MET A 35 -7.107 -0.408 -10.125 1.00 0.00 O ATOM 532 CB MET A 35 -7.359 0.415 -6.948 1.00 0.00 C ATOM 533 CG MET A 35 -6.652 0.097 -5.628 1.00 0.00 C ATOM 534 SD MET A 35 -5.989 -1.586 -5.686 1.00 0.00 S ATOM 535 CE MET A 35 -5.447 -1.683 -3.962 1.00 0.00 C ATOM 0 H MET A 35 -5.804 2.314 -7.068 1.00 0.00 H new ATOM 0 HA MET A 35 -5.669 -0.335 -8.046 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.923 1.343 -6.856 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.075 -0.371 -7.188 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.846 0.810 -5.454 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.350 0.195 -4.797 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.368 -2.728 -3.664 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.475 -1.201 -3.859 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.172 -1.178 -3.324 1.00 0.00 H new ATOM 545 N ILE A 36 -7.505 1.776 -9.780 1.00 0.00 N ATOM 546 CA ILE A 36 -8.185 1.947 -11.057 1.00 0.00 C ATOM 547 C ILE A 36 -7.186 1.812 -12.202 1.00 0.00 C ATOM 548 O ILE A 36 -7.466 1.162 -13.208 1.00 0.00 O ATOM 549 CB ILE A 36 -8.863 3.323 -11.105 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.965 3.391 -10.032 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.487 3.543 -12.494 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.261 2.762 -10.557 1.00 0.00 C ATOM 0 H ILE A 36 -7.446 2.621 -9.211 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.946 1.174 -11.163 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.121 4.098 -10.914 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.638 2.869 -9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.145 4.429 -9.751 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.968 4.521 -12.526 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.707 3.497 -13.254 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.228 2.767 -12.687 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.030 2.818 -9.787 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.595 3.302 -11.443 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.081 1.718 -10.815 1.00 0.00 H new ATOM 564 N ASN A 37 -6.026 2.439 -12.037 1.00 0.00 N ATOM 565 CA ASN A 37 -4.984 2.386 -13.058 1.00 0.00 C ATOM 566 C ASN A 37 -4.657 0.930 -13.367 1.00 0.00 C ATOM 567 O ASN A 37 -4.221 0.601 -14.472 1.00 0.00 O ATOM 568 CB ASN A 37 -3.732 3.110 -12.571 1.00 0.00 C ATOM 569 CG ASN A 37 -2.627 2.997 -13.616 1.00 0.00 C ATOM 570 OD1 ASN A 37 -2.909 2.875 -14.808 1.00 0.00 O ATOM 571 ND2 ASN A 37 -1.380 3.027 -13.237 1.00 0.00 N ATOM 0 H ASN A 37 -5.784 2.987 -11.211 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.340 2.879 -13.963 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.959 4.159 -12.381 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.397 2.680 -11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.635 2.949 -13.929 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.150 3.128 -12.249 1.00 0.00 H new ATOM 578 N LEU A 38 -4.881 0.057 -12.386 1.00 0.00 N ATOM 579 CA LEU A 38 -4.621 -1.371 -12.574 1.00 0.00 C ATOM 580 C LEU A 38 -5.820 -2.045 -13.234 1.00 0.00 C ATOM 581 O LEU A 38 -5.861 -3.271 -13.361 1.00 0.00 O ATOM 582 CB LEU A 38 -4.345 -2.032 -11.224 1.00 0.00 C ATOM 583 CG LEU A 38 -3.023 -1.501 -10.658 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.907 -1.895 -9.183 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.835 -2.091 -11.441 1.00 0.00 C ATOM 0 H LEU A 38 -5.237 0.308 -11.464 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.749 -1.484 -13.219 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.160 -1.823 -10.531 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.295 -3.115 -11.340 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.006 -0.415 -10.752 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.967 -1.518 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.740 -1.467 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.931 -2.981 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.901 -1.707 -11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.848 -3.178 -11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.914 -1.807 -12.490 1.00 0.00 H new ATOM 597 N GLY A 39 -6.790 -1.239 -13.654 1.00 0.00 N ATOM 598 CA GLY A 39 -7.983 -1.772 -14.302 1.00 0.00 C ATOM 599 C GLY A 39 -8.791 -2.616 -13.332 1.00 0.00 C ATOM 600 O GLY A 39 -9.426 -3.596 -13.726 1.00 0.00 O ATOM 0 H GLY A 39 -6.774 -0.224 -13.559 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.596 -0.952 -14.676 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.696 -2.375 -15.164 1.00 0.00 H new ATOM 604 N GLU A 40 -8.765 -2.240 -12.056 1.00 0.00 N ATOM 605 CA GLU A 40 -9.501 -2.976 -11.033 1.00 0.00 C ATOM 606 C GLU A 40 -10.209 -2.031 -10.075 1.00 0.00 C ATOM 607 O GLU A 40 -9.733 -1.777 -8.977 1.00 0.00 O ATOM 608 CB GLU A 40 -8.537 -3.854 -10.245 1.00 0.00 C ATOM 609 CG GLU A 40 -7.969 -4.955 -11.152 1.00 0.00 C ATOM 610 CD GLU A 40 -9.079 -5.918 -11.566 1.00 0.00 C ATOM 611 OE1 GLU A 40 -9.779 -6.395 -10.688 1.00 0.00 O ATOM 612 OE2 GLU A 40 -9.214 -6.160 -12.753 1.00 0.00 O ATOM 0 H GLU A 40 -8.245 -1.435 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.251 -3.590 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.725 -3.248 -9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.052 -4.301 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.515 -4.510 -12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.182 -5.498 -10.629 1.00 0.00 H new ATOM 619 N LYS A 41 -11.353 -1.515 -10.501 1.00 0.00 N ATOM 620 CA LYS A 41 -12.129 -0.606 -9.676 1.00 0.00 C ATOM 621 C LYS A 41 -12.642 -1.331 -8.443 1.00 0.00 C ATOM 622 O LYS A 41 -13.369 -2.316 -8.545 1.00 0.00 O ATOM 623 CB LYS A 41 -13.318 -0.059 -10.475 1.00 0.00 C ATOM 624 CG LYS A 41 -14.249 0.728 -9.542 1.00 0.00 C ATOM 625 CD LYS A 41 -15.208 1.584 -10.372 1.00 0.00 C ATOM 626 CE LYS A 41 -16.151 0.678 -11.163 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.283 1.485 -11.695 1.00 0.00 N ATOM 0 H LYS A 41 -11.763 -1.712 -11.414 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.488 0.220 -9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.963 0.586 -11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.863 -0.879 -10.942 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.813 0.041 -8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.662 1.362 -8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.782 2.242 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.645 2.223 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.613 0.202 -11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.528 -0.120 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.925 0.869 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.801 1.919 -10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.914 2.231 -12.319 1.00 0.00 H new ATOM 641 N LEU A 42 -12.258 -0.835 -7.280 1.00 0.00 N ATOM 642 CA LEU A 42 -12.678 -1.436 -6.008 1.00 0.00 C ATOM 643 C LEU A 42 -13.721 -0.563 -5.327 1.00 0.00 C ATOM 644 O LEU A 42 -14.229 0.388 -5.918 1.00 0.00 O ATOM 645 CB LEU A 42 -11.475 -1.608 -5.082 1.00 0.00 C ATOM 646 CG LEU A 42 -10.355 -2.335 -5.833 1.00 0.00 C ATOM 647 CD1 LEU A 42 -9.159 -2.528 -4.901 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.856 -3.701 -6.322 1.00 0.00 C ATOM 0 H LEU A 42 -11.656 -0.018 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.113 -2.413 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.125 -0.635 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.762 -2.175 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.052 -1.738 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.362 -3.045 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.799 -1.556 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.462 -3.121 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.055 -4.213 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.165 -4.303 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.704 -3.559 -6.991 1.00 0.00 H new ATOM 660 N THR A 43 -14.043 -0.896 -4.080 1.00 0.00 N ATOM 661 CA THR A 43 -15.038 -0.132 -3.321 1.00 0.00 C ATOM 662 C THR A 43 -14.353 0.753 -2.288 1.00 0.00 C ATOM 663 O THR A 43 -13.329 0.386 -1.715 1.00 0.00 O ATOM 664 CB THR A 43 -16.003 -1.102 -2.617 1.00 0.00 C ATOM 665 OG1 THR A 43 -15.297 -2.279 -2.244 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.148 -1.468 -3.559 1.00 0.00 C ATOM 0 H THR A 43 -13.635 -1.682 -3.574 1.00 0.00 H new ATOM 0 HA THR A 43 -15.596 0.503 -4.009 1.00 0.00 H new ATOM 0 HB THR A 43 -16.412 -0.623 -1.727 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.909 -2.898 -1.794 1.00 0.00 H new ATOM 0 HG21 THR A 43 -17.828 -2.155 -3.055 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.689 -0.565 -3.843 1.00 0.00 H new ATOM 0 HG23 THR A 43 -16.746 -1.946 -4.452 1.00 0.00 H new ATOM 674 N ASP A 44 -14.931 1.924 -2.059 1.00 0.00 N ATOM 675 CA ASP A 44 -14.369 2.867 -1.100 1.00 0.00 C ATOM 676 C ASP A 44 -14.149 2.173 0.239 1.00 0.00 C ATOM 677 O ASP A 44 -13.196 2.484 0.955 1.00 0.00 O ATOM 678 CB ASP A 44 -15.331 4.053 -0.916 1.00 0.00 C ATOM 679 CG ASP A 44 -15.126 5.080 -2.031 1.00 0.00 C ATOM 680 OD1 ASP A 44 -14.213 4.903 -2.820 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.890 6.028 -2.078 1.00 0.00 O ATOM 0 H ASP A 44 -15.783 2.243 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.413 3.232 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.362 3.699 -0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.162 4.520 0.054 1.00 0.00 H new ATOM 686 N GLU A 45 -15.030 1.237 0.571 1.00 0.00 N ATOM 687 CA GLU A 45 -14.911 0.515 1.833 1.00 0.00 C ATOM 688 C GLU A 45 -13.546 -0.157 1.939 1.00 0.00 C ATOM 689 O GLU A 45 -12.902 -0.115 2.985 1.00 0.00 O ATOM 690 CB GLU A 45 -16.008 -0.548 1.927 1.00 0.00 C ATOM 691 CG GLU A 45 -17.370 0.135 2.059 1.00 0.00 C ATOM 692 CD GLU A 45 -18.475 -0.915 2.132 1.00 0.00 C ATOM 693 OE1 GLU A 45 -18.964 -1.306 1.084 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.815 -1.312 3.233 1.00 0.00 O ATOM 0 H GLU A 45 -15.825 0.962 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.019 1.228 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.992 -1.182 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.829 -1.195 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.389 0.758 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.539 0.795 1.208 1.00 0.00 H new ATOM 701 N GLU A 46 -13.108 -0.774 0.849 1.00 0.00 N ATOM 702 CA GLU A 46 -11.816 -1.451 0.835 1.00 0.00 C ATOM 703 C GLU A 46 -10.689 -0.469 1.137 1.00 0.00 C ATOM 704 O GLU A 46 -9.753 -0.786 1.875 1.00 0.00 O ATOM 705 CB GLU A 46 -11.581 -2.094 -0.535 1.00 0.00 C ATOM 706 CG GLU A 46 -12.615 -3.198 -0.771 1.00 0.00 C ATOM 707 CD GLU A 46 -12.400 -4.337 0.220 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.273 -4.791 0.335 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.363 -4.735 0.854 1.00 0.00 O ATOM 0 H GLU A 46 -13.623 -0.820 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.824 -2.222 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.654 -1.340 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.574 -2.509 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.621 -2.794 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.532 -3.573 -1.791 1.00 0.00 H new ATOM 716 N VAL A 47 -10.786 0.727 0.566 1.00 0.00 N ATOM 717 CA VAL A 47 -9.769 1.747 0.785 1.00 0.00 C ATOM 718 C VAL A 47 -9.733 2.165 2.253 1.00 0.00 C ATOM 719 O VAL A 47 -8.663 2.264 2.854 1.00 0.00 O ATOM 720 CB VAL A 47 -10.056 2.966 -0.093 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.093 4.100 0.268 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.865 2.589 -1.564 1.00 0.00 C ATOM 0 H VAL A 47 -11.551 1.011 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.798 1.330 0.518 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.082 3.296 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.300 4.967 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.226 4.370 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.067 3.771 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.069 3.457 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.839 2.258 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.551 1.783 -1.825 1.00 0.00 H new ATOM 732 N GLU A 48 -10.907 2.415 2.821 1.00 0.00 N ATOM 733 CA GLU A 48 -10.993 2.830 4.216 1.00 0.00 C ATOM 734 C GLU A 48 -10.438 1.746 5.130 1.00 0.00 C ATOM 735 O GLU A 48 -9.639 2.026 6.023 1.00 0.00 O ATOM 736 CB GLU A 48 -12.454 3.108 4.583 1.00 0.00 C ATOM 737 CG GLU A 48 -12.965 4.314 3.791 1.00 0.00 C ATOM 738 CD GLU A 48 -12.226 5.575 4.222 1.00 0.00 C ATOM 739 OE1 GLU A 48 -11.672 5.569 5.310 1.00 0.00 O ATOM 740 OE2 GLU A 48 -12.220 6.527 3.459 1.00 0.00 O ATOM 0 H GLU A 48 -11.805 2.339 2.343 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.403 3.737 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.066 2.233 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.540 3.300 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.821 4.146 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.036 4.438 3.952 1.00 0.00 H new ATOM 747 N GLN A 49 -10.863 0.509 4.902 1.00 0.00 N ATOM 748 CA GLN A 49 -10.400 -0.607 5.715 1.00 0.00 C ATOM 749 C GLN A 49 -8.882 -0.704 5.669 1.00 0.00 C ATOM 750 O GLN A 49 -8.239 -0.981 6.673 1.00 0.00 O ATOM 751 CB GLN A 49 -11.009 -1.914 5.198 1.00 0.00 C ATOM 752 CG GLN A 49 -12.517 -1.916 5.458 1.00 0.00 C ATOM 753 CD GLN A 49 -12.793 -2.145 6.938 1.00 0.00 C ATOM 754 OE1 GLN A 49 -13.609 -1.347 7.573 1.00 0.00 O flip ATOM 755 NE2 GLN A 49 -12.254 -3.078 7.533 1.00 0.00 N flip ATOM 0 H GLN A 49 -11.523 0.255 4.166 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.714 -0.439 6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.814 -2.021 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.543 -2.765 5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.949 -0.967 5.142 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.995 -2.697 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.617 -3.700 7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.444 -3.229 8.524 1.00 0.00 H new ATOM 764 N MET A 50 -8.308 -0.487 4.498 1.00 0.00 N ATOM 765 CA MET A 50 -6.856 -0.555 4.349 1.00 0.00 C ATOM 766 C MET A 50 -6.174 0.592 5.092 1.00 0.00 C ATOM 767 O MET A 50 -5.158 0.392 5.758 1.00 0.00 O ATOM 768 CB MET A 50 -6.495 -0.463 2.862 1.00 0.00 C ATOM 769 CG MET A 50 -6.843 -1.778 2.169 1.00 0.00 C ATOM 770 SD MET A 50 -6.665 -1.575 0.374 1.00 0.00 S ATOM 771 CE MET A 50 -4.860 -1.555 0.317 1.00 0.00 C ATOM 0 H MET A 50 -8.815 -0.264 3.642 1.00 0.00 H new ATOM 0 HA MET A 50 -6.512 -1.500 4.770 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.037 0.360 2.396 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.432 -0.250 2.748 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.188 -2.574 2.523 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.863 -2.073 2.414 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.529 -1.544 -0.721 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.490 -0.665 0.825 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.470 -2.444 0.813 1.00 0.00 H new ATOM 781 N ILE A 51 -6.737 1.792 4.970 1.00 0.00 N ATOM 782 CA ILE A 51 -6.167 2.955 5.634 1.00 0.00 C ATOM 783 C ILE A 51 -6.303 2.856 7.146 1.00 0.00 C ATOM 784 O ILE A 51 -5.349 3.092 7.879 1.00 0.00 O ATOM 785 CB ILE A 51 -6.860 4.232 5.140 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.517 4.458 3.666 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.383 5.433 5.963 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.372 5.597 3.115 1.00 0.00 C ATOM 0 H ILE A 51 -7.577 1.981 4.424 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.106 2.991 5.388 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.939 4.123 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.459 4.699 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.695 3.546 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.878 6.337 5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.627 5.274 7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.304 5.544 5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.129 5.759 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.427 5.338 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.172 6.508 3.679 1.00 0.00 H new ATOM 800 N LYS A 52 -7.500 2.518 7.608 1.00 0.00 N ATOM 801 CA LYS A 52 -7.745 2.413 9.038 1.00 0.00 C ATOM 802 C LYS A 52 -6.843 1.345 9.655 1.00 0.00 C ATOM 803 O LYS A 52 -6.265 1.546 10.725 1.00 0.00 O ATOM 804 CB LYS A 52 -9.235 2.081 9.284 1.00 0.00 C ATOM 805 CG LYS A 52 -9.445 0.561 9.364 1.00 0.00 C ATOM 806 CD LYS A 52 -10.909 0.241 9.531 1.00 0.00 C ATOM 807 CE LYS A 52 -11.072 -1.275 9.652 1.00 0.00 C ATOM 808 NZ LYS A 52 -12.510 -1.597 9.856 1.00 0.00 N ATOM 0 H LYS A 52 -8.308 2.314 7.020 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.513 3.366 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.569 2.549 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.843 2.496 8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.063 0.087 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.879 0.153 10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.304 0.735 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.477 0.615 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.701 -1.766 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.481 -1.651 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.623 -2.624 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.857 -1.112 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.057 -1.281 9.030 1.00 0.00 H new ATOM 822 N GLU A 53 -6.768 0.197 8.987 1.00 0.00 N ATOM 823 CA GLU A 53 -5.973 -0.907 9.483 1.00 0.00 C ATOM 824 C GLU A 53 -4.502 -0.519 9.478 1.00 0.00 C ATOM 825 O GLU A 53 -3.772 -0.812 10.421 1.00 0.00 O ATOM 826 CB GLU A 53 -6.205 -2.156 8.612 1.00 0.00 C ATOM 827 CG GLU A 53 -5.010 -3.099 8.730 1.00 0.00 C ATOM 828 CD GLU A 53 -5.377 -4.494 8.262 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.431 -4.638 7.673 1.00 0.00 O ATOM 830 OE2 GLU A 53 -4.598 -5.403 8.507 1.00 0.00 O ATOM 0 H GLU A 53 -7.248 0.014 8.106 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.273 -1.139 10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.115 -2.666 8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.348 -1.864 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.180 -2.718 8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.670 -3.135 9.765 1.00 0.00 H new ATOM 837 N ALA A 54 -4.072 0.116 8.394 1.00 0.00 N ATOM 838 CA ALA A 54 -2.679 0.516 8.268 1.00 0.00 C ATOM 839 C ALA A 54 -2.355 1.646 9.234 1.00 0.00 C ATOM 840 O ALA A 54 -1.352 1.601 9.944 1.00 0.00 O ATOM 841 CB ALA A 54 -2.395 0.972 6.834 1.00 0.00 C ATOM 0 H ALA A 54 -4.661 0.362 7.599 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.052 -0.342 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.350 1.270 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.597 0.152 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.035 1.819 6.588 1.00 0.00 H new ATOM 847 N ASP A 55 -3.214 2.659 9.255 1.00 0.00 N ATOM 848 CA ASP A 55 -3.010 3.800 10.137 1.00 0.00 C ATOM 849 C ASP A 55 -3.198 3.405 11.591 1.00 0.00 C ATOM 850 O ASP A 55 -4.202 2.797 11.956 1.00 0.00 O ATOM 851 CB ASP A 55 -3.998 4.919 9.787 1.00 0.00 C ATOM 852 CG ASP A 55 -3.590 5.589 8.484 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.484 5.345 8.040 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.383 6.350 7.957 1.00 0.00 O ATOM 0 H ASP A 55 -4.052 2.713 8.676 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.988 4.153 9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.004 4.510 9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.025 5.655 10.590 1.00 0.00 H new ATOM 859 N LEU A 56 -2.223 3.756 12.429 1.00 0.00 N ATOM 860 CA LEU A 56 -2.294 3.435 13.853 1.00 0.00 C ATOM 861 C LEU A 56 -2.817 4.629 14.635 1.00 0.00 C ATOM 862 O LEU A 56 -3.138 4.510 15.815 1.00 0.00 O ATOM 863 CB LEU A 56 -0.903 3.049 14.375 1.00 0.00 C ATOM 864 CG LEU A 56 -0.605 1.594 14.005 1.00 0.00 C ATOM 865 CD1 LEU A 56 -0.762 1.405 12.493 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.826 1.250 14.419 1.00 0.00 C ATOM 0 H LEU A 56 -1.381 4.259 12.149 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.975 2.595 13.987 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.147 3.707 13.947 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.860 3.176 15.457 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.303 0.936 14.523 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.549 0.368 12.232 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.783 1.651 12.200 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.066 2.061 11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.042 0.214 14.157 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.523 1.908 13.900 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.935 1.382 15.495 1.00 0.00 H new ATOM 878 N ASP A 57 -2.897 5.781 13.974 1.00 0.00 N ATOM 879 CA ASP A 57 -3.385 7.004 14.619 1.00 0.00 C ATOM 880 C ASP A 57 -4.695 7.456 13.986 1.00 0.00 C ATOM 881 O ASP A 57 -5.219 8.518 14.320 1.00 0.00 O ATOM 882 CB ASP A 57 -2.340 8.111 14.488 1.00 0.00 C ATOM 883 CG ASP A 57 -1.943 8.289 13.025 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.126 7.353 12.259 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.457 9.356 12.693 1.00 0.00 O ATOM 0 H ASP A 57 -2.632 5.897 12.996 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.561 6.794 15.674 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.739 9.046 14.881 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.461 7.864 15.084 1.00 0.00 H new ATOM 890 N GLY A 58 -5.221 6.643 13.073 1.00 0.00 N ATOM 891 CA GLY A 58 -6.473 6.975 12.403 1.00 0.00 C ATOM 892 C GLY A 58 -6.470 8.423 11.929 1.00 0.00 C ATOM 893 O GLY A 58 -7.411 9.170 12.189 1.00 0.00 O ATOM 0 H GLY A 58 -4.804 5.758 12.783 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.622 6.310 11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.308 6.813 13.084 1.00 0.00 H new ATOM 897 N ASP A 59 -5.403 8.818 11.238 1.00 0.00 N ATOM 898 CA ASP A 59 -5.283 10.184 10.734 1.00 0.00 C ATOM 899 C ASP A 59 -5.608 10.233 9.247 1.00 0.00 C ATOM 900 O ASP A 59 -5.413 11.257 8.595 1.00 0.00 O ATOM 901 CB ASP A 59 -3.864 10.701 10.966 1.00 0.00 C ATOM 902 CG ASP A 59 -2.851 9.748 10.340 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.261 8.699 9.870 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.676 10.081 10.343 1.00 0.00 O ATOM 0 H ASP A 59 -4.612 8.214 11.015 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.991 10.815 11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.755 11.695 10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.673 10.796 12.035 1.00 0.00 H new ATOM 909 N GLY A 60 -6.105 9.120 8.715 1.00 0.00 N ATOM 910 CA GLY A 60 -6.456 9.051 7.303 1.00 0.00 C ATOM 911 C GLY A 60 -5.235 9.293 6.433 1.00 0.00 C ATOM 912 O GLY A 60 -5.346 9.414 5.214 1.00 0.00 O ATOM 0 H GLY A 60 -6.272 8.260 9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.882 8.074 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.222 9.793 7.077 1.00 0.00 H new ATOM 916 N GLN A 61 -4.064 9.371 7.066 1.00 0.00 N ATOM 917 CA GLN A 61 -2.816 9.607 6.337 1.00 0.00 C ATOM 918 C GLN A 61 -1.838 8.459 6.552 1.00 0.00 C ATOM 919 O GLN A 61 -1.255 8.316 7.629 1.00 0.00 O ATOM 920 CB GLN A 61 -2.182 10.913 6.820 1.00 0.00 C ATOM 921 CG GLN A 61 -3.036 12.090 6.384 1.00 0.00 C ATOM 922 CD GLN A 61 -2.529 13.381 7.020 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.043 13.363 8.148 1.00 0.00 O ATOM 924 NE2 GLN A 61 -2.616 14.507 6.362 1.00 0.00 N ATOM 0 H GLN A 61 -3.953 9.275 8.075 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.044 9.675 5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.088 10.903 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.175 11.012 6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.015 12.180 5.298 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.074 11.920 6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.020 14.520 5.425 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.280 15.372 6.785 1.00 0.00 H new ATOM 933 N VAL A 62 -1.666 7.637 5.516 1.00 0.00 N ATOM 934 CA VAL A 62 -0.755 6.501 5.612 1.00 0.00 C ATOM 935 C VAL A 62 0.678 6.961 5.378 1.00 0.00 C ATOM 936 O VAL A 62 1.020 7.440 4.292 1.00 0.00 O ATOM 937 CB VAL A 62 -1.130 5.444 4.571 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.462 4.115 4.918 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.648 5.267 4.540 1.00 0.00 C ATOM 0 H VAL A 62 -2.137 7.735 4.617 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.834 6.069 6.610 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.786 5.771 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.733 3.366 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.620 4.243 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.796 3.786 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.911 4.514 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.997 4.947 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.120 6.214 4.279 1.00 0.00 H new ATOM 949 N ASN A 63 1.511 6.813 6.406 1.00 0.00 N ATOM 950 CA ASN A 63 2.910 7.215 6.312 1.00 0.00 C ATOM 951 C ASN A 63 3.738 6.111 5.664 1.00 0.00 C ATOM 952 O ASN A 63 3.348 4.943 5.672 1.00 0.00 O ATOM 953 CB ASN A 63 3.464 7.524 7.704 1.00 0.00 C ATOM 954 CG ASN A 63 4.907 8.003 7.595 1.00 0.00 C ATOM 955 OD1 ASN A 63 5.242 8.824 6.638 1.00 0.00 O flip ATOM 956 ND2 ASN A 63 5.752 7.620 8.404 1.00 0.00 N flip ATOM 0 H ASN A 63 1.242 6.420 7.308 1.00 0.00 H new ATOM 0 HA ASN A 63 2.971 8.111 5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.854 8.288 8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.414 6.633 8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.488 6.978 9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.716 7.945 8.327 1.00 0.00 H new ATOM 963 N TYR A 64 4.881 6.487 5.105 1.00 0.00 N ATOM 964 CA TYR A 64 5.752 5.521 4.456 1.00 0.00 C ATOM 965 C TYR A 64 6.065 4.365 5.399 1.00 0.00 C ATOM 966 O TYR A 64 6.106 3.209 4.984 1.00 0.00 O ATOM 967 CB TYR A 64 7.056 6.202 4.023 1.00 0.00 C ATOM 968 CG TYR A 64 8.029 5.160 3.505 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.684 4.367 2.405 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.271 4.988 4.129 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.576 3.403 1.928 1.00 0.00 C ATOM 972 CE2 TYR A 64 10.163 4.024 3.650 1.00 0.00 C ATOM 973 CZ TYR A 64 9.817 3.232 2.549 1.00 0.00 C ATOM 974 OH TYR A 64 10.699 2.280 2.081 1.00 0.00 O ATOM 0 H TYR A 64 5.223 7.448 5.089 1.00 0.00 H new ATOM 0 HA TYR A 64 5.240 5.128 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.852 6.940 3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.495 6.737 4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.726 4.500 1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.539 5.599 4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.307 2.790 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.121 3.890 4.130 1.00 0.00 H new ATOM 0 HH TYR A 64 11.514 2.294 2.625 1.00 0.00 H new ATOM 984 N GLU A 65 6.294 4.684 6.666 1.00 0.00 N ATOM 985 CA GLU A 65 6.612 3.660 7.655 1.00 0.00 C ATOM 986 C GLU A 65 5.462 2.665 7.781 1.00 0.00 C ATOM 987 O GLU A 65 5.677 1.452 7.807 1.00 0.00 O ATOM 988 CB GLU A 65 6.862 4.316 9.014 1.00 0.00 C ATOM 989 CG GLU A 65 7.912 5.417 8.862 1.00 0.00 C ATOM 990 CD GLU A 65 9.254 4.811 8.466 1.00 0.00 C ATOM 991 OE1 GLU A 65 9.427 3.621 8.669 1.00 0.00 O ATOM 992 OE2 GLU A 65 10.090 5.547 7.968 1.00 0.00 O ATOM 0 H GLU A 65 6.266 5.636 7.032 1.00 0.00 H new ATOM 0 HA GLU A 65 7.507 3.130 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.934 4.735 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.202 3.571 9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.591 6.134 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.014 5.965 9.799 1.00 0.00 H new ATOM 999 N GLU A 66 4.242 3.186 7.852 1.00 0.00 N ATOM 1000 CA GLU A 66 3.063 2.334 7.973 1.00 0.00 C ATOM 1001 C GLU A 66 2.922 1.439 6.741 1.00 0.00 C ATOM 1002 O GLU A 66 2.469 0.297 6.826 1.00 0.00 O ATOM 1003 CB GLU A 66 1.807 3.190 8.139 1.00 0.00 C ATOM 1004 CG GLU A 66 1.839 3.888 9.500 1.00 0.00 C ATOM 1005 CD GLU A 66 0.644 4.828 9.636 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.104 4.952 8.679 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.492 5.407 10.698 1.00 0.00 O ATOM 0 H GLU A 66 4.043 4.186 7.828 1.00 0.00 H new ATOM 0 HA GLU A 66 3.183 1.703 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.751 3.930 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.916 2.567 8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.821 3.146 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.767 4.449 9.608 1.00 0.00 H new ATOM 1014 N PHE A 67 3.305 1.969 5.593 1.00 0.00 N ATOM 1015 CA PHE A 67 3.225 1.208 4.353 1.00 0.00 C ATOM 1016 C PHE A 67 4.256 0.085 4.348 1.00 0.00 C ATOM 1017 O PHE A 67 3.950 -1.055 4.012 1.00 0.00 O ATOM 1018 CB PHE A 67 3.464 2.127 3.157 1.00 0.00 C ATOM 1019 CG PHE A 67 3.441 1.316 1.880 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.247 0.726 1.449 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.614 1.153 1.129 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.225 -0.026 0.266 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.590 0.402 -0.051 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.396 -0.186 -0.483 1.00 0.00 C ATOM 0 H PHE A 67 3.672 2.915 5.490 1.00 0.00 H new ATOM 0 HA PHE A 67 2.228 0.773 4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.697 2.901 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.424 2.633 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.343 0.850 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.536 1.607 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.304 -0.482 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.494 0.276 -0.629 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.378 -0.764 -1.395 1.00 0.00 H new ATOM 1034 N VAL A 68 5.492 0.421 4.708 1.00 0.00 N ATOM 1035 CA VAL A 68 6.559 -0.573 4.715 1.00 0.00 C ATOM 1036 C VAL A 68 6.229 -1.732 5.655 1.00 0.00 C ATOM 1037 O VAL A 68 6.288 -2.905 5.266 1.00 0.00 O ATOM 1038 CB VAL A 68 7.870 0.091 5.175 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.932 -0.983 5.436 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.373 1.041 4.088 1.00 0.00 C ATOM 0 H VAL A 68 5.776 1.358 4.994 1.00 0.00 H new ATOM 0 HA VAL A 68 6.666 -0.967 3.704 1.00 0.00 H new ATOM 0 HB VAL A 68 7.684 0.649 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.858 -0.508 5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.580 -1.662 6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.115 -1.544 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.301 1.510 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.554 0.481 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.624 1.810 3.902 1.00 0.00 H new ATOM 1050 N LYS A 69 5.890 -1.401 6.895 1.00 0.00 N ATOM 1051 CA LYS A 69 5.572 -2.427 7.877 1.00 0.00 C ATOM 1052 C LYS A 69 4.394 -3.269 7.402 1.00 0.00 C ATOM 1053 O LYS A 69 4.395 -4.496 7.532 1.00 0.00 O ATOM 1054 CB LYS A 69 5.257 -1.770 9.233 1.00 0.00 C ATOM 1055 CG LYS A 69 3.788 -1.344 9.285 1.00 0.00 C ATOM 1056 CD LYS A 69 3.520 -0.527 10.534 1.00 0.00 C ATOM 1057 CE LYS A 69 2.038 -0.142 10.580 1.00 0.00 C ATOM 1058 NZ LYS A 69 1.245 -1.298 11.087 1.00 0.00 N ATOM 0 H LYS A 69 5.829 -0.443 7.240 1.00 0.00 H new ATOM 0 HA LYS A 69 6.433 -3.084 7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.469 -2.469 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.900 -0.903 9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.541 -0.759 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.146 -2.225 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.786 -1.101 11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.140 0.369 10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.895 0.724 11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.693 0.142 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.350 -1.363 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.788 -2.175 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.043 -1.164 12.098 1.00 0.00 H new ATOM 1072 N MET A 70 3.375 -2.594 6.871 1.00 0.00 N ATOM 1073 CA MET A 70 2.193 -3.287 6.396 1.00 0.00 C ATOM 1074 C MET A 70 2.538 -4.196 5.235 1.00 0.00 C ATOM 1075 O MET A 70 2.062 -5.321 5.161 1.00 0.00 O ATOM 1076 CB MET A 70 1.129 -2.263 5.960 1.00 0.00 C ATOM 1077 CG MET A 70 0.354 -1.744 7.179 1.00 0.00 C ATOM 1078 SD MET A 70 -0.573 -3.104 7.947 1.00 0.00 S ATOM 1079 CE MET A 70 -1.646 -3.477 6.537 1.00 0.00 C ATOM 0 H MET A 70 3.350 -1.580 6.763 1.00 0.00 H new ATOM 0 HA MET A 70 1.797 -3.897 7.208 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.607 -1.430 5.443 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.440 -2.724 5.252 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.044 -1.309 7.902 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.330 -0.952 6.875 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.629 -3.780 6.898 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.747 -2.590 5.912 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.209 -4.286 5.951 1.00 0.00 H new ATOM 1089 N MET A 71 3.369 -3.702 4.334 1.00 0.00 N ATOM 1090 CA MET A 71 3.769 -4.485 3.174 1.00 0.00 C ATOM 1091 C MET A 71 4.463 -5.765 3.611 1.00 0.00 C ATOM 1092 O MET A 71 4.328 -6.805 2.961 1.00 0.00 O ATOM 1093 CB MET A 71 4.714 -3.661 2.290 1.00 0.00 C ATOM 1094 CG MET A 71 3.905 -2.676 1.442 1.00 0.00 C ATOM 1095 SD MET A 71 2.912 -3.575 0.222 1.00 0.00 S ATOM 1096 CE MET A 71 4.208 -3.798 -1.018 1.00 0.00 C ATOM 0 H MET A 71 3.779 -2.769 4.381 1.00 0.00 H new ATOM 0 HA MET A 71 2.876 -4.746 2.605 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.428 -3.119 2.911 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.291 -4.322 1.644 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.256 -2.080 2.083 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.577 -1.983 0.936 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.888 -4.541 -1.749 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.396 -2.850 -1.523 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.122 -4.138 -0.532 1.00 0.00 H new ATOM 1106 N MET A 72 5.190 -5.692 4.719 1.00 0.00 N ATOM 1107 CA MET A 72 5.880 -6.867 5.237 1.00 0.00 C ATOM 1108 C MET A 72 4.910 -7.778 5.989 1.00 0.00 C ATOM 1109 O MET A 72 4.844 -8.979 5.727 1.00 0.00 O ATOM 1110 CB MET A 72 7.018 -6.434 6.170 1.00 0.00 C ATOM 1111 CG MET A 72 8.250 -6.051 5.344 1.00 0.00 C ATOM 1112 SD MET A 72 9.650 -5.758 6.449 1.00 0.00 S ATOM 1113 CE MET A 72 9.401 -3.985 6.664 1.00 0.00 C ATOM 0 H MET A 72 5.317 -4.843 5.270 1.00 0.00 H new ATOM 0 HA MET A 72 6.293 -7.423 4.396 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.699 -5.588 6.778 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.266 -7.244 6.856 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.490 -6.847 4.639 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.043 -5.156 4.757 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.743 -3.687 7.655 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.967 -3.444 5.906 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.341 -3.751 6.561 1.00 0.00 H new ATOM 1123 N THR A 73 4.168 -7.197 6.926 1.00 0.00 N ATOM 1124 CA THR A 73 3.213 -7.967 7.711 1.00 0.00 C ATOM 1125 C THR A 73 2.348 -8.828 6.800 1.00 0.00 C ATOM 1126 O THR A 73 1.846 -9.872 7.211 1.00 0.00 O ATOM 1127 CB THR A 73 2.324 -7.022 8.522 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.139 -6.113 9.247 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.462 -7.830 9.491 1.00 0.00 C ATOM 0 H THR A 73 4.209 -6.205 7.158 1.00 0.00 H new ATOM 0 HA THR A 73 3.765 -8.617 8.390 1.00 0.00 H new ATOM 0 HB THR A 73 1.674 -6.466 7.846 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.385 -5.361 8.668 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.830 -7.154 10.067 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.835 -8.522 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.105 -8.391 10.169 1.00 0.00 H new ATOM 1137 N VAL A 74 2.183 -8.387 5.561 1.00 0.00 N ATOM 1138 CA VAL A 74 1.378 -9.134 4.603 1.00 0.00 C ATOM 1139 C VAL A 74 1.970 -10.520 4.372 1.00 0.00 C ATOM 1140 O VAL A 74 1.249 -11.520 4.364 1.00 0.00 O ATOM 1141 CB VAL A 74 1.311 -8.369 3.273 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.775 -9.291 2.168 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.373 -7.156 3.423 1.00 0.00 C ATOM 0 H VAL A 74 2.590 -7.525 5.197 1.00 0.00 H new ATOM 0 HA VAL A 74 0.372 -9.248 5.007 1.00 0.00 H new ATOM 0 HB VAL A 74 2.311 -8.028 3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.730 -8.743 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.438 -10.149 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.224 -9.637 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.326 -6.614 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.625 -7.499 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.754 -6.496 4.202 1.00 0.00 H new ATOM 1153 N ARG A 75 3.282 -10.574 4.176 1.00 0.00 N ATOM 1154 CA ARG A 75 3.953 -11.843 3.940 1.00 0.00 C ATOM 1155 C ARG A 75 4.104 -12.607 5.247 1.00 0.00 C ATOM 1156 O ARG A 75 5.156 -12.560 5.883 1.00 0.00 O ATOM 1157 CB ARG A 75 5.334 -11.600 3.330 1.00 0.00 C ATOM 1158 CG ARG A 75 5.892 -12.916 2.787 1.00 0.00 C ATOM 1159 CD ARG A 75 7.282 -12.679 2.196 1.00 0.00 C ATOM 1160 NE ARG A 75 8.221 -12.308 3.250 1.00 0.00 N ATOM 1161 CZ ARG A 75 9.490 -12.027 2.973 1.00 0.00 C ATOM 1162 NH1 ARG A 75 9.916 -12.084 1.742 1.00 0.00 N ATOM 1163 NH2 ARG A 75 10.310 -11.697 3.933 1.00 0.00 N ATOM 0 H ARG A 75 3.897 -9.760 4.176 1.00 0.00 H new ATOM 0 HA ARG A 75 3.351 -12.432 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.265 -10.864 2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.008 -11.190 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.947 -13.656 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.225 -13.318 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.629 -13.580 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.236 -11.890 1.445 1.00 0.00 H new ATOM 0 HE ARG A 75 7.897 -12.264 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.275 -12.344 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.890 -11.868 1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.977 -11.655 4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.284 -11.481 3.720 1.00 0.00 H new ATOM 1177 N GLY A 76 3.049 -13.311 5.643 1.00 0.00 N ATOM 1178 CA GLY A 76 3.072 -14.087 6.886 1.00 0.00 C ATOM 1179 C GLY A 76 1.802 -13.857 7.696 1.00 0.00 C ATOM 1180 O GLY A 76 1.790 -14.047 8.913 1.00 0.00 O ATOM 0 H GLY A 76 2.170 -13.363 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.174 -15.147 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.942 -13.805 7.479 1.00 0.00 H new ATOM 1184 N GLY A 77 0.738 -13.445 7.017 1.00 0.00 N ATOM 1185 CA GLY A 77 -0.532 -13.193 7.686 1.00 0.00 C ATOM 1186 C GLY A 77 -0.490 -11.881 8.457 1.00 0.00 C ATOM 1187 O GLY A 77 0.568 -11.273 8.608 1.00 0.00 O ATOM 0 H GLY A 77 0.729 -13.279 6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.335 -13.161 6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.757 -14.013 8.368 1.00 0.00 H new ATOM 1191 N GLY A 78 -1.646 -11.452 8.952 1.00 0.00 N ATOM 1192 CA GLY A 78 -1.732 -10.206 9.715 1.00 0.00 C ATOM 1193 C GLY A 78 -2.186 -9.056 8.827 1.00 0.00 C ATOM 1194 O GLY A 78 -2.334 -7.926 9.289 1.00 0.00 O ATOM 0 H GLY A 78 -2.533 -11.943 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.430 -10.329 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.760 -9.973 10.150 1.00 0.00 H new ATOM 1198 N GLY A 79 -2.410 -9.347 7.548 1.00 0.00 N ATOM 1199 CA GLY A 79 -2.851 -8.327 6.599 1.00 0.00 C ATOM 1200 C GLY A 79 -4.340 -8.467 6.305 1.00 0.00 C ATOM 1201 O GLY A 79 -4.899 -9.563 6.379 1.00 0.00 O ATOM 0 H GLY A 79 -2.294 -10.277 7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.648 -7.336 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.283 -8.416 5.673 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.979 -7.351 5.972 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.404 -7.359 5.667 1.00 0.00 C ATOM 1207 C GLY A 80 -6.667 -8.009 4.317 1.00 0.00 C ATOM 1208 O GLY A 80 -5.871 -8.820 3.842 1.00 0.00 O ATOM 0 H GLY A 80 -4.536 -6.435 5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.944 -7.898 6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.785 -6.338 5.664 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.787 -7.651 3.698 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.147 -8.206 2.393 1.00 0.00 C ATOM 1214 C ASN A 81 -7.694 -7.279 1.267 1.00 0.00 C ATOM 1215 O ASN A 81 -7.377 -7.729 0.160 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.664 -8.406 2.319 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.074 -9.598 3.176 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -10.591 -9.423 4.279 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -9.876 -10.810 2.731 1.00 0.00 N ATOM 0 H ASN A 81 -8.460 -6.983 4.074 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.645 -9.166 2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.175 -7.507 2.663 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.968 -8.569 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.150 -11.613 3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.447 -10.954 1.817 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.656 -5.980 1.556 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.238 -5.004 0.561 1.00 0.00 C ATOM 1228 C GLY A 82 -5.729 -5.063 0.329 1.00 0.00 C ATOM 1229 O GLY A 82 -5.268 -5.190 -0.810 1.00 0.00 O ATOM 0 H GLY A 82 -7.907 -5.585 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.760 -5.191 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.519 -4.003 0.889 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.966 -4.977 1.415 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.512 -5.025 1.319 1.00 0.00 C ATOM 1235 C TRP A 83 -3.073 -6.323 0.654 1.00 0.00 C ATOM 1236 O TRP A 83 -2.192 -6.321 -0.206 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.894 -4.921 2.714 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.151 -3.560 3.280 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.928 -3.302 4.356 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.657 -2.273 2.811 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.936 -1.938 4.584 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.168 -1.260 3.657 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.823 -1.890 1.747 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.862 0.086 3.454 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.513 -0.537 1.538 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -2.031 0.449 2.390 1.00 0.00 C ATOM 0 H TRP A 83 -5.327 -4.875 2.363 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.171 -4.185 0.714 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.318 -5.683 3.368 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.821 -5.107 2.662 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.456 -4.040 4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.446 -1.488 5.344 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.418 -2.642 1.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.264 0.841 4.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.872 -0.254 0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.788 1.488 2.224 1.00 0.00 H new ATOM 1257 N SER A 84 -3.693 -7.428 1.055 1.00 0.00 N ATOM 1258 CA SER A 84 -3.357 -8.727 0.485 1.00 0.00 C ATOM 1259 C SER A 84 -3.713 -8.762 -0.998 1.00 0.00 C ATOM 1260 O SER A 84 -3.018 -9.383 -1.796 1.00 0.00 O ATOM 1261 CB SER A 84 -4.118 -9.832 1.217 1.00 0.00 C ATOM 1262 OG SER A 84 -5.515 -9.599 1.094 1.00 0.00 O ATOM 0 H SER A 84 -4.424 -7.451 1.766 1.00 0.00 H new ATOM 0 HA SER A 84 -2.285 -8.889 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.861 -10.805 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.832 -9.852 2.269 1.00 0.00 H new ATOM 0 HG SER A 84 -6.007 -10.382 1.419 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.799 -8.081 -1.359 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.228 -8.044 -2.756 1.00 0.00 C ATOM 1270 C ARG A 85 -4.172 -7.363 -3.622 1.00 0.00 C ATOM 1271 O ARG A 85 -3.847 -7.836 -4.712 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.555 -7.292 -2.868 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.052 -7.344 -4.312 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.419 -6.665 -4.405 1.00 0.00 C ATOM 1275 NE ARG A 85 -8.905 -6.701 -5.782 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.599 -7.739 -6.240 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.853 -8.752 -5.456 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.023 -7.747 -7.474 1.00 0.00 N ATOM 0 H ARG A 85 -5.390 -7.555 -0.715 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.360 -9.067 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.294 -7.737 -2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.425 -6.256 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.341 -6.846 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.125 -8.379 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.129 -7.167 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.345 -5.632 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.709 -5.916 -6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.519 -8.747 -4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.385 -9.548 -5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.822 -6.957 -8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.555 -8.543 -7.825 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.643 -6.250 -3.131 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.622 -5.520 -3.866 1.00 0.00 C ATOM 1294 C LEU A 86 -1.319 -6.310 -3.891 1.00 0.00 C ATOM 1295 O LEU A 86 -0.600 -6.319 -4.889 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.388 -4.150 -3.224 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.435 -3.321 -4.102 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.125 -2.956 -5.430 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -1.042 -2.045 -3.356 1.00 0.00 C ATOM 0 H LEU A 86 -3.902 -5.837 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.967 -5.379 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.337 -3.626 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.965 -4.273 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.542 -3.907 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.443 -2.369 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.399 -3.868 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.022 -2.372 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.366 -1.455 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.936 -1.462 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.543 -2.308 -2.423 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.003 -6.950 -2.773 1.00 0.00 N ATOM 1312 CA ARG A 87 0.224 -7.727 -2.673 1.00 0.00 C ATOM 1313 C ARG A 87 0.053 -9.094 -3.322 1.00 0.00 C ATOM 1314 O ARG A 87 1.038 -9.787 -3.588 1.00 0.00 O ATOM 1315 CB ARG A 87 0.629 -7.874 -1.182 1.00 0.00 C ATOM 1316 CG ARG A 87 1.993 -7.219 -0.936 1.00 0.00 C ATOM 1317 CD ARG A 87 3.090 -8.091 -1.573 1.00 0.00 C ATOM 1318 NE ARG A 87 4.238 -7.263 -1.923 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.238 -7.070 -1.073 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.201 -7.623 0.110 1.00 0.00 N ATOM 1321 NH2 ARG A 87 6.255 -6.331 -1.418 1.00 0.00 N ATOM 0 H ARG A 87 -1.575 -6.947 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 87 1.018 -7.203 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.125 -7.411 -0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.670 -8.929 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.012 -6.217 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.171 -7.111 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.393 -8.875 -0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.702 -8.586 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 87 4.273 -6.822 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.405 -8.201 0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.968 -7.476 0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.282 -5.900 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.023 -6.183 -0.764 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.184 -9.476 -3.564 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.454 -10.762 -4.192 1.00 0.00 C ATOM 1337 C ARG A 88 -0.893 -10.778 -5.607 1.00 0.00 C ATOM 1338 O ARG A 88 -0.114 -11.663 -5.963 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.975 -11.014 -4.209 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.383 -11.884 -3.004 1.00 0.00 C ATOM 1341 CD ARG A 88 -3.185 -13.357 -3.364 1.00 0.00 C ATOM 1342 NE ARG A 88 -3.351 -14.185 -2.183 1.00 0.00 N ATOM 1343 CZ ARG A 88 -2.994 -15.464 -2.187 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -2.485 -15.996 -3.264 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -3.152 -16.187 -1.114 1.00 0.00 N ATOM 0 H ARG A 88 -2.013 -8.925 -3.340 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.970 -11.555 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.509 -10.064 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.259 -11.510 -5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.782 -11.625 -2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.424 -11.697 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.903 -13.652 -4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.191 -13.506 -3.786 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.748 -13.778 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.361 -15.429 -4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.211 -16.978 -3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.550 -15.770 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.878 -17.170 -1.116 1.00 0.00 H new ATOM 1359 N LYS A 89 -1.290 -9.786 -6.398 1.00 0.00 N ATOM 1360 CA LYS A 89 -0.815 -9.692 -7.770 1.00 0.00 C ATOM 1361 C LYS A 89 0.692 -9.618 -7.764 1.00 0.00 C ATOM 1362 O LYS A 89 1.344 -10.655 -7.701 1.00 0.00 O ATOM 1363 CB LYS A 89 -1.391 -8.455 -8.448 1.00 0.00 C ATOM 1364 CG LYS A 89 -2.892 -8.652 -8.662 1.00 0.00 C ATOM 1365 CD LYS A 89 -3.470 -7.429 -9.373 1.00 0.00 C ATOM 1366 CE LYS A 89 -4.954 -7.661 -9.660 1.00 0.00 C ATOM 1367 NZ LYS A 89 -5.708 -7.707 -8.375 1.00 0.00 N ATOM 0 H LYS A 89 -1.932 -9.045 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.140 -10.572 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.212 -7.572 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.895 -8.285 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.071 -9.549 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.391 -8.798 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.343 -6.541 -8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.932 -7.248 -10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.342 -6.863 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.088 -8.595 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.726 -7.609 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.531 -8.615 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.395 -6.929 -7.761 1.00 0.00 H new ATOM 1381 N PHE A 90 1.236 -8.391 -7.820 1.00 0.00 N ATOM 1382 CA PHE A 90 2.693 -8.169 -7.822 1.00 0.00 C ATOM 1383 C PHE A 90 3.446 -9.479 -8.016 1.00 0.00 C ATOM 1384 O PHE A 90 3.438 -10.054 -9.104 1.00 0.00 O ATOM 1385 CB PHE A 90 3.107 -7.527 -6.489 1.00 0.00 C ATOM 1386 CG PHE A 90 2.809 -6.043 -6.518 1.00 0.00 C ATOM 1387 CD1 PHE A 90 1.496 -5.593 -6.702 1.00 0.00 C ATOM 1388 CD2 PHE A 90 3.849 -5.118 -6.371 1.00 0.00 C ATOM 1389 CE1 PHE A 90 1.223 -4.226 -6.737 1.00 0.00 C ATOM 1390 CE2 PHE A 90 3.575 -3.750 -6.407 1.00 0.00 C ATOM 1391 CZ PHE A 90 2.261 -3.303 -6.589 1.00 0.00 C ATOM 0 H PHE A 90 0.686 -7.533 -7.865 1.00 0.00 H new ATOM 0 HA PHE A 90 2.944 -7.507 -8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.570 -7.999 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.170 -7.690 -6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.693 -6.306 -6.817 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.863 -5.463 -6.230 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.209 -3.881 -6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.377 -3.036 -6.294 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.050 -2.244 -6.615 1.00 0.00 H new ATOM 1401 N SER A 91 4.060 -9.971 -6.945 1.00 0.00 N ATOM 1402 CA SER A 91 4.780 -11.235 -7.003 1.00 0.00 C ATOM 1403 C SER A 91 4.707 -11.954 -5.656 1.00 0.00 C ATOM 1404 O SER A 91 4.831 -11.334 -4.600 1.00 0.00 O ATOM 1405 CB SER A 91 6.236 -10.976 -7.368 1.00 0.00 C ATOM 1406 OG SER A 91 6.931 -12.212 -7.428 1.00 0.00 O ATOM 0 H SER A 91 4.073 -9.516 -6.032 1.00 0.00 H new ATOM 0 HA SER A 91 4.319 -11.867 -7.762 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.297 -10.464 -8.329 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.698 -10.322 -6.629 1.00 0.00 H new ATOM 0 HG SER A 91 7.868 -12.049 -7.664 1.00 0.00 H new ATOM 1412 N SER A 92 4.509 -13.268 -5.705 1.00 0.00 N ATOM 1413 CA SER A 92 4.429 -14.065 -4.486 1.00 0.00 C ATOM 1414 C SER A 92 5.734 -13.974 -3.702 1.00 0.00 C ATOM 1415 O SER A 92 6.591 -13.204 -4.104 1.00 0.00 O ATOM 1416 CB SER A 92 4.145 -15.526 -4.837 1.00 0.00 C ATOM 1417 OG SER A 92 2.877 -15.617 -5.476 1.00 0.00 O ATOM 1418 OXT SER A 92 5.856 -14.673 -2.711 1.00 0.00 O ATOM 0 H SER A 92 4.402 -13.800 -6.569 1.00 0.00 H new ATOM 0 HA SER A 92 3.619 -13.675 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.925 -15.913 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.155 -16.138 -3.935 1.00 0.00 H new ATOM 0 HG SER A 92 2.692 -16.552 -5.704 1.00 0.00 H new TER 1424 SER A 92 HETATM 1425 CA CA A 196 1.154 11.036 -1.465 1.00 0.00 CA HETATM 1426 CA CA A 209 -1.349 6.932 9.753 1.00 0.00 CA